3-[2-(2-phenylethyl)-2-azabicyclo[3.2.1]octan-5-yl]phenol;hydrobromide

C21H26BrNO — CID 71396949

IUPAC3-[2-(2-phenylethyl)-2-azabicyclo[3.2.1]octan-5-yl]phenol;hydrobromide
SMILESBr.Oc1cccc(C23CCC(C2)N(CCc2ccccc2)CC3)c1
InChIInChI=1S/C21H25NO.BrH/c23-20-8-4-7-18(15-20)21-11-9-19(16-21)22(14-12-21)13-10-17-5-2-1-3-6-17;/h1-8,15,19,23H,9-14,16H2;1H
InChIKeyNUUXTTZCTKOJLJ-UHFFFAOYSA-N
MW388.35 g/mol
LogP4.71
Rot. Bonds4

About 3-[2-(2-phenylethyl)-2-azabicyclo[3.2.1]octan-5-yl]phenol;hydrobromide

3-[2-(2-phenylethyl)-2-azabicyclo[3.2.1]octan-5-yl]phenol;hydrobromide (PubChem CID 71396949) has the molecular formula C21H26BrNO and a molecular weight of 388.35 g/mol. Its IUPAC name is 3-[2-(2-phenylethyl)-2-azabicyclo[3.2.1]octan-5-yl]phenol;hydrobromide.

Molecular Properties

Compound Name3-[2-(2-phenylethyl)-2-azabicyclo[3.2.1]octan-5-yl]phenol;hydrobromide
PubChem CID71396949
Molecular FormulaC21H26BrNO
Molecular Weight388.35 g/mol
Exact Mass387.12
IUPAC Name3-[2-(2-phenylethyl)-2-azabicyclo[3.2.1]octan-5-yl]phenol;hydrobromide
SMILESBr.Oc1cccc(C23CCC(C2)N(CCc2ccccc2)CC3)c1
InChIInChI=1S/C21H25NO.BrH/c23-20-8-4-7-18(15-20)21-11-9-19(16-21)22(14-12-21)13-10-17-5-2-1-3-6-17;/h1-8,15,19,23H,9-14,16H2;1H
InChIKeyNUUXTTZCTKOJLJ-UHFFFAOYSA-N
XLogP4.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[2-(2-phenylethyl)-2-azabicyclo[3.2.1]octan-5-yl]phenol;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-phenylethyl)-2-azabicyclo[3.2.1]octan-5-yl]phenol;hydrobromide?
The IUPAC name of 3-[2-(2-phenylethyl)-2-azabicyclo[3.2.1]octan-5-yl]phenol;hydrobromide (CID 71396949) is 3-[2-(2-phenylethyl)-2-azabicyclo[3.2.1]octan-5-yl]phenol;hydrobromide.
What is the SMILES notation for 3-[2-(2-phenylethyl)-2-azabicyclo[3.2.1]octan-5-yl]phenol;hydrobromide?
The canonical SMILES for 3-[2-(2-phenylethyl)-2-azabicyclo[3.2.1]octan-5-yl]phenol;hydrobromide is Br.Oc1cccc(C23CCC(C2)N(CCc2ccccc2)CC3)c1.
What is the InChIKey of 3-[2-(2-phenylethyl)-2-azabicyclo[3.2.1]octan-5-yl]phenol;hydrobromide?
The InChIKey is NUUXTTZCTKOJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO.BrH/c23-20-8-4-7-18(15-20)21-11-9-19(16-21)22(14-12-21)13-10-17-5-2-1-3-6-17;/h1-8,15,19,23H,9-14,16H2;1H.
What are the key properties of 3-[2-(2-phenylethyl)-2-azabicyclo[3.2.1]octan-5-yl]phenol;hydrobromide?
3-[2-(2-phenylethyl)-2-azabicyclo[3.2.1]octan-5-yl]phenol;hydrobromide has a molecular weight of 388.35 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-phenylethyl)-2-azabicyclo[3.2.1]octan-5-yl]phenol;hydrobromide is sourced from PubChem (CID 71396949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).